Summary
Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available.
Versions
v1.0.0-r1 :: 0 :: gentoo
- Modified
- License
- GPL-2
- Keywords
- amd64 ppc x86
Dependencies
media-libs / freeglut : A free OpenGL utility toolkit, the open-sourced alternative to the GLUT library
Runtime Dependencies
media-libs / freeglut : A free OpenGL utility toolkit, the open-sourced alternative to the GLUT library
Change logs
- Repository mirror & CI · gentoo
Merge updates from master - David Seifert · gentoo
x11-libs/liboglappth: Disable static libraries
Closes: https://bugs.gentoo.org/742656 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org> - Justin Lecher · gentoo
x11-libs/liboglappth: Drop old
Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org> - Agostino Sarubbo · gentoo
x11-libs/liboglappth: ppc stable wrt bug #615566
Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="ppc" Signed-off-by: Agostino Sarubbo <ago@gentoo.org> - Agostino Sarubbo · gentoo
x11-libs/liboglappth: x86 stable wrt bug #615566
Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org> - Agostino Sarubbo · gentoo
x11-libs/liboglappth: amd64 stable wrt bug #615566
Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org> - Justin Lecher · gentoo
x11-libs/liboglappth: Bump to EAPI=6
Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org> - Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> - Harri Nieminen · gentoo
x11-libs/liboglappth: Fix toolong DESCRIPTION
Package-Manager: Portage-2.3.3, Repoman-2.3.1 Closes: https://github.com/gentoo/gentoo/pull/3866 - Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed